3-Bromo-5-methylpyrazole - CAS 57097-81-1
Catalog: |
BB029579 |
Product Name: |
3-Bromo-5-methylpyrazole |
CAS: |
57097-81-1 |
Synonyms: |
3-bromo-5-methyl-1H-pyrazole; 3-bromo-5-methyl-1H-pyrazole |
IUPAC Name: | 3-bromo-5-methyl-1H-pyrazole |
Description: | 3-Bromo-5-methylpyrazole (CAS# 57097-81-1) is used to prepare cyclobutanediyls. |
Molecular Weight: | 161.00 |
Molecular Formula: | C4H5BrN2 |
Canonical SMILES: | CC1=CC(=NN1)Br |
InChI: | InChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7) |
InChI Key: | SVRPUGWCOWUQOY-UHFFFAOYSA-N |
Boiling Point: | 269.5 °C at 760 mmHg |
Density: | 1.723 g/cm3 |
MDL: | MFCD11215487 |
LogP: | 1.48060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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